N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C12H19F3N2O — CID 62427375

IUPACN-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1cc(CNC)co1)CC(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-3-4-17(9-12(13,14)15)7-11-5-10(6-16-2)8-18-11/h5,8,16H,3-4,6-7,9H2,1-2H3
InChIKeyDUKPGQOSNUCUHW-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.77
Rot. Bonds7

About N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62427375) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62427375
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC NameN-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1cc(CNC)co1)CC(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-3-4-17(9-12(13,14)15)7-11-5-10(6-16-2)8-18-11/h5,8,16H,3-4,6-7,9H2,1-2H3
InChIKeyDUKPGQOSNUCUHW-UHFFFAOYSA-N
XLogP2.77
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62427375) is N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(Cc1cc(CNC)co1)CC(F)(F)F.
What is the InChIKey of N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is DUKPGQOSNUCUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-3-4-17(9-12(13,14)15)7-11-5-10(6-16-2)8-18-11/h5,8,16H,3-4,6-7,9H2,1-2H3.
What are the key properties of N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 264.29 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62427375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).